CID 3087161

4h-pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(2-(dimethylamino)ethyl)-2-methyl-

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC1=NC2=C(N=CC=C2)N(C(=O)C1)CCN(C)C
InChI
InChI=1S/C13H18N4O/c1-10-9-12(18)17(8-7-16(2)3)13-11(15-10)5-4-6-14-13/h4-6H,7-9H2,1-3H3
InChIKey
QLOKUHSCYRGTJH-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-2-methyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 154.8
[M+Na]+ 269.13728 165.6
[M+NH4]+ 264.18188 161.1
[M+K]+ 285.11122 161.0
[M-H]- 245.14078 156.0
[M+Na-2H]- 267.12273 160.2
[M]+ 246.14751 156.6
[M]- 246.14861 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.